Chemical Properties of o-Anisic acid, 4-chlorophenyl ester

o-Anisic acid, 4-chlorophenyl ester

InChI
InChI=1S/C14H11ClO3/c1-17-13-5-3-2-4-12(13)14(16)18-11-8-6-10(15)7-9-11/h2-9H,1H3
InChI Key
BELPBVCDOMAVAK-UHFFFAOYSA-N
Formula
C14H11ClO3
SMILES
COc1ccccc1C(=O)Oc1ccc(Cl)cc1
Molecular Weight1
262.69
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Physical Properties

Property Value Unit Source
ΔfH°gas -336.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.07 kJ/mol Joback Calculated Property
ΔvapH° 91.03 kJ/mol Relay (1.0) Calculated Property
IE 8.10 eV Relay (1.0) Calculated Property
log10WS -4.63 Relay (1.0) Calculated Property
logPoct/wat 3.568 Crippen Calculated Property
McVol 186.150 ml/mol McGowan Calculated Property
Pc 2553.34 kPa Joback Calculated Property
Inp [2046.00; 2046.00]   Show Hide
Inp 2046.00 NIST
Inp 2046.00 NIST
Tboil 622.37 K Relay (1.0) Calculated Property
Tfus 336.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [238.21; 533.35] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.47500e+01
Coefficient B9.45820e-01
Coefficient C-4.80920e-04
Coefficient D5.37000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 238.21 J/mol×K 273.00 Calculated Property
Cp,gas 291.55 J/mol×K 353.78 Calculated Property
Cp,gas 339.35 J/mol×K 434.56 Calculated Property
Cp,gas 381.79 J/mol×K 515.33 Calculated Property
Cp,gas 419.04 J/mol×K 596.11 Calculated Property
Cp,gas 451.27 J/mol×K 676.89 Calculated Property
Cp,gas 478.65 J/mol×K 757.67 Calculated Property
Cp,gas 501.34 J/mol×K 838.44 Calculated Property
Cp,gas 519.52 J/mol×K 919.22 Calculated Property
Cp,gas 533.35 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0008559; 0.0001191] Pa×s [419.90; 660.01] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.24840e+01
Coefficient B2.27613e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.419.90
Temperature range, max.660.01
η 0.0008559 Pa×s 419.90 Calculated Property
η 0.0006191 Pa×s 446.58 Calculated Property
η 0.0004645 Pa×s 473.26 Calculated Property
η 0.0003594 Pa×s 499.94 Calculated Property
η 0.0002853 Pa×s 526.62 Calculated Property
η 0.0002317 Pa×s 553.30 Calculated Property
η 0.0001917 Pa×s 579.98 Calculated Property
η 0.0001613 Pa×s 606.66 Calculated Property
η 0.0001377 Pa×s 633.33 Calculated Property
η 0.0001191 Pa×s 660.01 Calculated Property

Similar Compounds

o-Anisic acid, 3,4-dichlorophenyl ester. o-Methoxybenzoic acid, phenyl ester. o-Anisic acid, 4-methoxyphenyl ester. o-Methoxybenzoic acid, 2-chlorophenyl ester. o-Anisic acid, 4-cyanophenyl ester. o-Anisic acid, 2-naphthyl ester. o-Anisic acid, 3-methylphenyl ester. o-Methoxybenzoic acid, 3,5-difluorophenyl ester. 4-Chlorophenyl salicylate. O-anisic acid, 4-benzyloxyphenyl ester. o-Methoxybenzoic acid, 2-methylphenyl ester. o-Anisic acid, 3,5-dimethylphenyl ester. 6H,12H-Dibenzo[b,f][1,5]dioxocine-6,12-dione. 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-. m-Anisic acid, 4-chlorophenyl ester.

Find more compounds similar to o-Anisic acid, 4-chlorophenyl ester.

Sources

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